Chemical identity

Acitretin Glucuronide

CAS 99792-36-6 · C27H34O9

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-04849
PubChem CID71313017
NameAcitretin Glucuronide
CAS RN99792-36-6
Molecular formulaC27H34O9
Molecular weight502.57 g/mol
IUPAC name(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(((2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
InChIKeyJBZDSEGJHOGTFE-QOKVZKDXSA-N

02Structure identifiers

2D structurePubChem CID 71313017
2D structure: Acitretin Glucuronide, CAS 99792-36-6
Structure of Acitretin Glucuronide (CAS 99792-36-6). LazyChem record. Source identity: PubChem CID 71313017. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC27H34O9
InChIKeyJBZDSEGJHOGTFE-QOKVZKDXSA-N
Ring count2
Defined stereocentres5
Unassigned stereocentres0
SMILESCC1=CC(=C(C(=C1/C=C/C(=C/C=C/C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C)C)C)OC
InChIInChI=1S/C27H34O9/c1-14(10-11-19-16(3)13-20(34-6)18(5)17(19)4)8-7-9-15(2)12-21(28)35-27-24(31)22(29)23(30)25(36-27)26(32)33/h7-13,22-25,27,29-31H,1-6H3,(H,32,33)/b9-7+,11-10+,14-8+,15-12+/t22-,23-,24+,25-,27+/m0/s1

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres52D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 99792-36-6 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 99792-36-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Acitretin

View API and impurity family

Other names

  • Acitretin O-beta-D-glucuronide
  • 1-O-[(2E,4E,6E,8E)-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoyl]-beta-D-glucopyranuronic acid
  • Isoacitretin Glucuronide
  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoyl]oxyoxane-2-carboxylic acid

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources